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  1. Third-Parties
  2. MatprojStructure
  3. mp-728941

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-728941
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Zn', 'Pb', 'I', 'O']
  • Chemical System: I-O-Pb-Zn
  • Density: 4.575361441687044
  • Atomic Density: 0.06217896627087689
  • Unit Cell Volume: 514.6434866831811
  • Molar Volume: 9.685173493822818
  • Full Formula: Zn1 Pb1 I6 O24
  • Reduced Formula: ZnPb(IO4)6
  • Formula Anonymous: ABC6D24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -146.42120011
  • Final energy per atom: -4.5756625034375
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.